Geometry & MOs

Info

ID:	27095
PubChem CID:	814303
Reduced:	ClSO2N3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	301.065176
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	5.56
IP(EA), eV:	-9.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-chloro-N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CC1CC1)CC(=O)NC2=NC=CS2)Cl

DOS

IR

Vibrations